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The Blue Obelisk-interoperability in chemical informatics.

Authors :
Guha R
Howard MT
Hutchison GR
Murray-Rust P
Rzepa H
Steinbeck C
Wegner J
Willighagen EL
Source :
Journal of chemical information and modeling [J Chem Inf Model] 2006 May-Jun; Vol. 46 (3), pp. 991-8.
Publication Year :
2006

Abstract

The Blue Obelisk Movement (http://www.blueobelisk.org/) is the name used by a diverse Internet group promoting reusable chemistry via open source software development, consistent and complimentary chemoinformatics research, open data, and open standards. We outline recent examples of cooperation in the Blue Obelisk group: a shared dictionary of algorithms and implementations in chemoinformatics algorithms drawing from our various software projects; a shared repository of chemoinformatics data including elemental properties, atomic radii, isotopes, atom typing rules, and so forth; and Web services for the platform-independent use of chemoinformatics programs.

Details

Language :
English
ISSN :
1549-9596
Volume :
46
Issue :
3
Database :
MEDLINE
Journal :
Journal of chemical information and modeling
Publication Type :
Academic Journal
Accession number :
16711717
Full Text :
https://doi.org/10.1021/ci050400b